Learning Lineage-guided Geodesics with Finsler Geometry
Authors: Aaron Zweig, Mingxuan Zhang, David A. Knowles, Elham Azizi
Organizations: New York Genome Center · Irving Institute for Cancer Dynamics, Columbia University · Department of Systems Biology, Columbia University · Department of Computer Science, Columbia University · Department of Biomedical Engineering, Columbia University · Data Science Institute, Columbia University
Trajectory inference investigates how to interpolate paths between observed timepoints of dynamical systems, such as temporally resolved population distributions, with the goal of inferring trajectories at unseen times and better understanding system dynamics. Previous work has focused on continuous geometric priors, utilizing data-dependent spatial features to define a Riemannian metric. In many applications, there exists discrete, directed prior knowledge over admissible transitions (e.g. lineage trees in developmental biology). We introduce a Finsler metric that combines geometry with classification and incorporate both types of priors in trajectory inference, yielding improved performance on interpolation tasks in synthetic and real-world data.
Figures & tables
Figure 1: A visual representation of the Finsler metric as a penalty. For temporal data evolving from t=0 (red) towards t=1 (blue), we want to define a local metric at x such that, if v1 agrees with the lineage prior and v2 contradicts the prior, then F(x,v1)<F(x,v2) , i.e. the metric acts as a penalty on disagreeing with the classification signal.
Figure 2: The Finsler metric trained on synthetic 2d data. The true lineage goes from class 0→1→4 , but the model is only trained on t∈{0,2} and therefore must rely on classification guidance to bias the trajectories through the dark blue cell type.
Synthetic( n =2)
Synthetic( n =50)
CFM( Tong et al. [2024a] )
0.95±0.00
1.21±0.00
CFM+Finsler
0.43±0.02
0.97±0.03
Table 1: Wasserstein-1 distance averaged over marginals on left-out time points for the synthetic dataset. n represents feature dimension.
Zebrafish-CNS
Zebrafish-PA
LineageOT( Forrow and Schiebinger [2021] )
15.01±0.00
11.68±0.00
Moslin( Lange et al. [2024] )
14.67±0.00
12.15±0.00
SF2M ( Tong et al. [2024b] )
15.91±0.11
13.42±0.10
CFM( Tong et al. [2024a] )
14.69±0.02
12.16±0.02
CFM+Finsler
14.57±0.02
11.99±0.04
MFM( Kapusniak et al. [2024] )
13.85±0.03
11.42±0.03
Table 2: Wasserstein-1 distance averaged over marginals on left-out time points for 100-PC representation of the zebrafish dataset.
Figure 3: Cell type predictions along two learned trajectories for the Mouse-Blood dataset. The x-axis is time and the y-axis is cell type probability. Top and bottom are two sampled trajectories.
Mouse-Blood
LineageOT( Forrow and Schiebinger [2021] )
7.98±0.00
Moslin( Lange et al. [2024] )
14.67±0.00
SF2M ( Tong et al. [2024b] )
9.16±0.01
CFM( Tong et al. [2024a] )
8.07±0.08
CFM+Finsler
7.65±0.04
MFM( Kapusniak et al. [2024] )
7.95±0.08
Table 3: Wasserstein-1 distance averaged over marginals on left-out time points for 100-PC representation of the mouse embryo organogenesis dataset.
Appendix figures & tables4 assets
Supplementary material from the paper’s appendix.
Appendix
Hyperparameter
Range
λ
{0.2,0.5,1.0}
classifier smoothing
{0.03,0.05}
Appendix
Table 4: Hyperparameter ranges for Finsler metric parameters
Hyperparameter
Range
# clusters r
{100,150,200}
kernel bandwidth κ
{1,1.5}
kernel smoothing parameter ϵ
{0.05,0.1,0.2}
use Euclidean optimal transport
{True,False}
Appendix
Table 5: Hyperparameter ranges for Metric Flow Matching specific parameters
Figure 4: Cell type predictions along five learned trajectories for the Zebrafish-CNS dataset. The x-axis is time and the y-axis is cell type probability. Top and bottom are five sampled trajectories.
Figure 5: Lineage tree priors used in all single-cell experiments
Single-cell snapshot data can resolve a continuum of cellular states but do not uniquely determine the dynamics governing transitions between them. However, additional dynamical information can often be encoded in a cell-cell Markov transition kernel. Existing generative approaches for single cell trajectory inference either infer transport only from population marginals, impose a symmetric geometry on the state space, or incorporate directionality through a single velocity vector at each observed state. We introduce Finsler Flow Matching (FFM), a framework for learning continuous stochastic dynamics from discrete Markov transition graphs. We use the first and second local moments to construct a Finsler structure motivated by the Freidlin--Wentzell action, where the second moment determines anisotropic accessibility and the first moment introduces a preferred direction of motion. We learn neural approximations of the resulting directed geodesics, use their Finsler cost to construct source-target couplings, and define geometry-aware stochastic conditional paths that can be distilled into a continuous generative process through simulation-free score and flow matching. Across synthetic and single-cell trajectory inference benchmarks, FFM improves recovery of withheld intermediate populations, particularly when the transition dynamics are strongly directional or anisotropic. Our results provide a principled route from discrete transition probabilities to continuous generative dynamics while retaining both directional and diffusive structure.
Niklas Canova, Jonas Simon Fleck
Institute of Human Biology (IHB), Roche, Basel, Switzerland
Trajectory inference is a fundamental problem in many scientific domains: given a collection of unpaired snapshots of observations at discrete time points, the goal is to generate smooth trajectories that best resemble and interpolate the data. Existing algorithms exhibit computational challenges: they either rely on preprocessing subroutines to enforce smoothness or on simulation-based training objectives, both of which can be expensive. In order to overcome these limitations, we propose a new algorithm called Acceleration Matching (AM). Our approach consists of lifting the original interpolation problem to phase space and then regressing onto an explicit conditional acceleration field that induces random, smooth trajectories that agree with the prescribed marginals. Importantly, our resulting training algorithm only requires positional data, avoids trajectory simulation during training, and is devoid of expensive preprocessing. We provide ample numerical evidence suggesting that AM is competitive with or superior to existing algorithms on several benchmark problems from the existing literature.
Bartolo Dazzini, Giovanni Conforti, Alain Durmus +1
Department of Mathematics, University of Padova. · CMAP, ´Ecole polytechnique. · Institute for Foundations of Data Science, Yale University.
The geometry of generative models serves as the basis for interpolation, model inspection, and more. Unfortunately, most generative models lack a principal notion of geometry without restrictive assumptions on either the model or the data dimension. In this paper, we construct a general geometry compatible with different metrics and probability distributions to analyze generative models that do not require additional training. We consider curves analogous to geodesics constrained to a suitable data distribution aimed at targeting high-density regions learned by generative models. We formulate this as a (pseudo)-metric and prove that this corresponds to a Newtonian system on a Riemannian manifold. We show that shortest paths in our framework can be characterized by a system of ordinary differential equations, which locally corresponds to geodesics under a suitable Riemannian metric. Numerically, we derive a novel algorithm to efficiently compute shortest paths and generalized Fréchet means. Quantitatively, we show that curves using our metric traverse regions of higher density than baselines across a range of models and datasets.
Frederik Möbius Rygaard, Shen Zhu, Yinzhu Jin +2
DTU Compute, Technical University of Denmark, Kongens Lyngby, Denmark · Department of Computer Science, University of Virginia, Charlottesville (VA), USA · Department of Electrical and Computer Engineering, University of Virginia, Charlottesville (VA), USA